orbital_charges     :real:2:4,3
  0.176556084953621E+001  0.119595036297262E+001  0.170501879129631E+001
  0.200000000000000E+001  0.666734998097430E+000  0.000000000000000E+000
  0.000000000000000E+000  0.000000000000000E+000  0.666734998097430E+000
  0.000000000000000E+000  0.000000000000000E+000  0.000000000000000E+000
forces              :real:2:3,3
 -0.000000000000000E+000  0.693889390390723E-017 -0.156812627043341E-001
  0.551142711515546E-016  0.728951956289128E-002  0.784063135216703E-002
 -0.551142711515546E-016 -0.728951956289128E-002  0.784063135216702E-002
mermin_energy       :real:0:
 -0.405095459022997E+001
end_coords          :real:2:3,3
  0.000000000000000E+000  0.000000000000000E+000  0.226275789872440E+000
  0.000000000000000E+000  0.143917751838194E+001 -0.905140954009533E+000
  0.000000000000000E+000 -0.143917751838194E+001 -0.905140954009533E+000
